反式-1,3-环己二醇二甲磺酸酯
TL;DR: 反式-1,3-环己二醇二甲磺酸酯 (CAS 39967-14-1) is a chemical compound with molecular formula C8H16O6S2 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
反式-1,3-环己二醇二甲磺酸酯
[(1R,3R)-3-methylsulfonyloxycyclohexyl] methanesulfonate
Also Known As: 1,3-Cyclohexanediol, dimethanesulfonate, trans-, AI3-61233, 1,3-Cyclohexanediol, dimethanesulfonate, cis-, (1R,3R)-Cyclohexane-1,3-diyl dimethanesulfonate, [(1R,3R)-3-methylsulfonyloxycyclohexyl] methanesulfonate
| Molecular Formula | C8H16O6S2 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.03882 |
| Heavy Atoms | 16 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 39967-14-1 |
|---|---|
| SMILES | CS(=O)(=O)O[C@@H]1CCC[C@H](C1)OS(=O)(=O)C |
| InChIKey | RZYWEHGAIVDMRD-HTQZYQBOSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
反式-1,3-环己二醇二甲磺酸酯 (CAS 39967-14-1), with molecular formula C8H16O6S2 and molecular weight 272.04 g/mol. IUPAC: [(1R,3R)-3-methylsulfonyloxycyclohexyl] methanesulfonate.
Chemical Property Profile of 反式-1,3-环己二醇二甲磺酸酯
Property Insights of 反式-1,3-环己二醇二甲磺酸酯
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 反式-1,3-环己二醇二甲磺酸酯. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 反式-1,3-环己二醇二甲磺酸酯. Following Lipinski's Rule of Five, 反式-1,3-环己二醇二甲磺酸酯 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 反式-1,3-环己二醇二甲磺酸酯?
The CAS number of 反式-1,3-环己二醇二甲磺酸酯 is 39967-14-1.
What is the molecular formula of 反式-1,3-环己二醇二甲磺酸酯?
The molecular formula of 反式-1,3-环己二醇二甲磺酸酯 is C8H16O6S2.
What is the molecular weight of 反式-1,3-环己二醇二甲磺酸酯?
The molecular weight of 反式-1,3-环己二醇二甲磺酸酯 is 272.04 g/mol.
Where can I buy 反式-1,3-环己二醇二甲磺酸酯?
You can request a quote for 反式-1,3-环己二醇二甲磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 反式-1,3-环己二醇二甲磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 反式-1,3-环己二醇二甲磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.